2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine

C12H25NO2S — CID 62739877

IUPAC2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO2S/c1-9(2)10-4-5-12(13)11(8-10)6-7-16(3,14)15/h9-12H,4-8,13H2,1-3H3
InChIKeyOMIYCWMESKXEDN-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.82
Rot. Bonds4

About 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine

2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62739877) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID62739877
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO2S/c1-9(2)10-4-5-12(13)11(8-10)6-7-16(3,14)15/h9-12H,4-8,13H2,1-3H3
InChIKeyOMIYCWMESKXEDN-UHFFFAOYSA-N
XLogP1.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63191907
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64676309
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616692
N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106735621
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane
CID 130336972

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine (CID 62739877) is 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CCS(C)(=O)=O)C1.
What is the InChIKey of 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is OMIYCWMESKXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(2)10-4-5-12(13)11(8-10)6-7-16(3,14)15/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62739877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).